(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methoxy-4-prop-2-enyl-phenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methoxy-4-prop-2-enyl-phenoxy)propan-2-ol Openeye Name: (2R)-1-(4-allyl-2-methoxy-phenoxy)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]propan-2-ol CAS Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methoxy-4-prop-2-enylphenoxy)propan-2-ol Traditional Name: (2R)-1-(4-allyl-2-methoxy-phenoxy)-3-(4-piperonylpiperazin-4-ium-1-yl)propan-2-ol Formula: C25H33N2O5+ MolecularWeight: 441.53992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(CN2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OC[C@@H](CN2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C25H32N2O5/c1-3-4-19-5-7-22(24(13-19)29-2)30-17-21(28)16-27-11-9-26(10-12-27)15-20-6-8-23-25(14-20)32-18-31-23/h3,5-8,13-14,21,28H,1,4,9-12,15-18H2,2H3/p+1/t21-/m1/s1